> When running parmchk to get .frcmod of my .prep, I have got two IMPROPERs,
> c2-c3-nh-hn 1.1 180.0 2.0 Using default valu
e
> c2-c2-na-n2 1.1 180.0 2.0 Using default valu
e
>
> which is different from gaff.dat:
> X -c3-nh-X 6 0.000 0.000 2.000 JCC,7,(1986),230
> X -c2-na-X 4 2.500 180.000 2.000
Are you sure you are comparing impropers to impropers? The different
format of the lines makes me wonder.
Bill
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Received on Fri Apr 02 2010 - 10:30:02 PDT
